6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

C17H20N4O2 — CID 155564247

IUPAC6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(C3CCc4ccccc43)CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C17H20N4O2/c22-16-11-15(18-17(23)19-16)21-9-7-20(8-10-21)14-6-5-12-3-1-2-4-13(12)14/h1-4,11,14H,5-10H2,(H2,18,19,22,23)
InChIKeyMAGXXKTYNHPZIU-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.87
Rot. Bonds2

About 6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 155564247) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID155564247
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(C3CCc4ccccc43)CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C17H20N4O2/c22-16-11-15(18-17(23)19-16)21-9-7-20(8-10-21)14-6-5-12-3-1-2-4-13(12)14/h1-4,11,14H,5-10H2,(H2,18,19,22,23)
InChIKeyMAGXXKTYNHPZIU-UHFFFAOYSA-N
XLogP0.87
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (CID 155564247) is 6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is O=c1cc(N2CCN(C3CCc4ccccc43)CC2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is MAGXXKTYNHPZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16-11-15(18-17(23)19-16)21-9-7-20(8-10-21)14-6-5-12-3-1-2-4-13(12)14/h1-4,11,14H,5-10H2,(H2,18,19,22,23).
What are the key properties of 6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 312.37 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155564247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).